Information card for entry 7225836

Structure parameters

• Formula: C34 H26 O5
• Calculated formula: C34 H26 O5
• SMILES: C1(=C(C(C(=C(C)O1)C(=O)OCc1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: DABCO Catalyzed Unusual Formal [4+2] Cycloaddition of 3-acyl (or alkoxycarbonyl)-1,4-enediones with 2,3-butadienoates: An Effective Access to Construct Highly Functionalized Pyrans
• Authors of publication: Meng, Xiang-Suo; Jiang, Shan; Xu, Xiaoyun; Wu, Qiangxian; Gu, Yucheng; SHI, De-Qing
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.1218 ± 0.0014 Å
• b: 11.3596 ± 0.0016 Å
• c: 12.4854 ± 0.0018 Å
• α: 101.15 ± 0.002°
• β: 109.815 ± 0.002°
• γ: 92.281 ± 0.002°
• Cell volume: 1316.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No